CID 28201

5,5-dibutylbarbituric acid

Structural Information

Molecular Formula

C₁₂H₂₀N₂O₃

SMILES

CCCCC1(C(=O)NC(=O)NC1=O)CCCC

InChI

InChI=1S/C12H20N2O3/c1-3-5-7-12(8-6-4-2)9(15)13-11(17)14-10(12)16/h3-8H2,1-2H3,(H2,13,14,15,16,17)

InChIKey

KXOZJFGEGGNJDX-UHFFFAOYSA-N

Compound name

5,5-dibutyl-1,3-diazinane-2,4,6-trione

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 1
References: 37
Patents: 240.1474 Da
Monoisotopic Mass: 2.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Å²) per adduct calculated using CCSbase.
Adduct	m/z	Predicted CCS (Å²)
[M+H]+	241.15468	158.2
[M+Na]+	263.13662	167.2
[M+NH4]+	258.18122	164.2
[M+K]+	279.11056	160.3
[M-H]-	239.14012	156.0
[M+Na-2H]-	261.12207	160.5
[M]+	240.14685	158.5
[M]-	240.14795	158.5

Literature stripe

literature stripe

Patent stripe

patents stripe